Compile Data Set for Download or QSAR

Found 432 hits with Last Name = 'rich' and Initial = 'dh'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pepsin A (Porcine)	BDBM50028313 (3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...) Show SMILES CC(C)CC(NC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CO Show InChI InChI=1S/C33H63N5O8/c1-17(2)12-23(25(40)15-28(43)34-22(11)31(44)35-24(13-18(3)4)26(41)16-39)36-32(45)30(21(9)10)38-33(46)29(20(7)8)37-27(42)14-19(5)6/h17-26,29-30,39-41H,12-16H2,1-11H3,(H,34,43)(H,35,44)(H,36,45)(H,37,42)(H,38,46)/t22-,23?,24?,25+,26+,29-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50225475 (CHEMBL92625) Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(OP(O)(O)=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H51N4O9P/c1-15(2)10-11-22(32)31-26(35)19(9)28-24(34)14-21(40-41(37,38)39)20(12-16(3)4)29-27(36)25(18(7)8)30-23(33)13-17(5)6/h15-21,25H,10-14H2,1-9H3,(H,28,34)(H,29,36)(H,30,33)(H,31,32,35)(H2,37,38,39)/t19-,20+,21?,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368427 (CHEMBL1790880 | CHEMBL3349491) Show SMILES [H][C@@](O)(CN1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C45H55N7O8/c1-4-28(2)40(44(58)50-36(45(59)60-3)25-30-16-9-6-10-17-30)51-43(57)37-20-13-23-52(37)27-38(53)34(24-29-14-7-5-8-15-29)48-42(56)35(26-39(46)54)49-41(55)33-22-21-31-18-11-12-19-32(31)47-33/h5-12,14-19,21-22,28,34-38,40,53H,4,13,20,23-27H2,1-3H3,(H2,46,54)(H,48,56)(H,49,55)(H,50,58)(H,51,57)/t28-,34+,35+,36+,37+,38-,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50108795 (CHEMBL3143435 | {1-[1-(1-{1-Hydroxy-1-methyl-2-[1-...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C33H63N5O7/c1-19(2)13-15-34-29(40)24(11)35-26(39)18-33(12,44)25(17-21(5)6)36-30(41)27(22(7)8)37-31(42)28(23(9)10)38-32(43)45-16-14-20(3)4/h19-25,27-28,44H,13-18H2,1-12H3,(H,34,40)(H,35,39)(H,36,41)(H,37,42)(H,38,43)/t24-,25-,27?,28?,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of pepsin				J Med Chem 45: 541-58 (2002) BindingDB Entry DOI: 10.7270/Q2M9080M
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025532 (3-Hydroxy-6-methyl-4-[3-methyl-2-(2-methyl-butyryl...) Show SMILES CCC(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)NCCC(C)C Show InChI InChI=1S/C26H50N4O5/c1-10-18(8)24(33)30-23(17(6)7)26(35)29-20(13-16(4)5)21(31)14-22(32)28-19(9)25(34)27-12-11-15(2)3/h15-21,23,31H,10-14H2,1-9H3,(H,27,34)(H,28,32)(H,29,35)(H,30,33)/t18?,19?,20?,21-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for inhibition of carboxyl protease (pepsin) inhibition				J Med Chem 25: 791-5 (1982) BindingDB Entry DOI: 10.7270/Q2C828BB
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368430 (CHEMBL1790874 | CHEMBL3349485) Show SMILES [H][C@@](O)(CN1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29+,30+,31+,32+,33-,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025525 (4-[2-(2-Ethyl-butyrylamino)-3-methyl-butyrylamino]...) Show SMILES CCC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)NCCC(C)C Show InChI InChI=1S/C27H52N4O5/c1-10-20(11-2)26(35)31-24(18(7)8)27(36)30-21(14-17(5)6)22(32)15-23(33)29-19(9)25(34)28-13-12-16(3)4/h16-22,24,32H,10-15H2,1-9H3,(H,28,34)(H,29,33)(H,30,36)(H,31,35)/t19?,21?,22-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for inhibition of carboxyl protease (pepsin) inhibition				J Med Chem 25: 791-5 (1982) BindingDB Entry DOI: 10.7270/Q2C828BB
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368420 (CHEMBL1790890 | CHEMBL3349500) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C45H55N7O8/c1-4-28(2)40(44(58)50-36(45(59)60-3)25-30-16-9-6-10-17-30)51-43(57)37-20-13-23-52(37)27-38(53)34(24-29-14-7-5-8-15-29)48-42(56)35(26-39(46)54)49-41(55)33-22-21-31-18-11-12-19-32(31)47-33/h5-12,14-19,21-22,28,34-38,40,53H,4,13,20,23-27H2,1-3H3,(H2,46,54)(H,48,56)(H,49,55)(H,50,58)(H,51,57)/t28-,34+,35+,36+,37?,38-,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368409 (CHEMBL1790877 | CHEMBL3349488) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C49H57N7O8/c1-4-30(2)44(48(62)54-40(49(63)64-3)27-32-20-21-33-15-8-9-17-35(33)25-32)55-47(61)41-19-12-24-56(41)29-42(57)38(26-31-13-6-5-7-14-31)52-46(60)39(28-43(50)58)53-45(59)37-23-22-34-16-10-11-18-36(34)51-37/h5-11,13-18,20-23,25,30,38-42,44,57H,4,12,19,24,26-29H2,1-3H3,(H2,50,58)(H,52,60)(H,53,59)(H,54,62)(H,55,61)/t30-,38+,39+,40+,41?,42-,44+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368429 (CHEMBL1790875 | CHEMBL3349486) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29+,30+,31+,32?,33-,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50010495 (Acetyl-Ser-Leu-Asn-Phe-[CH(OH)CH2N]Pro-Ile-Val-OMe...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33?,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against HIV protease was measured				J Med Chem 34: 1222-5 (1991) BindingDB Entry DOI: 10.7270/Q2057DWM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014015 (2-{2-[2-(3-tert-Butoxycarbonylamino-2-hydroxy-4-ph...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC |r| Show InChI InChI=1S/C40H54N4O7/c1-7-27(2)35(37(47)42-33(38(48)50-6)25-30-21-15-10-16-22-30)44-36(46)32(24-29-19-13-9-14-20-29)41-26-34(45)31(23-28-17-11-8-12-18-28)43-39(49)51-40(3,4)5/h8-22,27,31-35,41,45H,7,23-26H2,1-6H3,(H,42,47)(H,43,49)(H,44,46)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025514 (2-{2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phe...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C52H81N7O11/c1-30(2)24-37(55-45(62)34(9)53-46(63)38(25-31(3)4)56-47(64)40(28-36-22-18-15-19-23-36)58-51(68)70-52(10,11)12)42(60)29-43(61)54-39(27-35-20-16-14-17-21-35)48(65)59-44(33(7)8)49(66)57-41(26-32(5)6)50(67)69-13/h14-23,30-34,37-42,44,60H,24-29H2,1-13H3,(H,53,63)(H,54,61)(H,55,62)(H,56,64)(H,57,66)(H,58,68)(H,59,65)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of pepsin.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50010497 (Acetyl-Ser-Leu-Asn-Phe-[S]-[CH(OH)CH2N]Pro-Ile-Val...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig trachea using [3H]LTD4				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368422 (CHEMBL1790871 | CHEMBL3349482) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O Show InChI InChI=1S/C46H68N8O11/c1-7-28(4)40(45(63)52-35(46(64)65-6)23-31-17-12-9-13-18-31)53-44(62)37-19-14-20-54(37)25-38(57)32(22-30-15-10-8-11-16-30)49-42(60)34(24-39(47)58)51-41(59)33(21-27(2)3)50-43(61)36(26-55)48-29(5)56/h8-13,15-18,27-28,32-38,40,55,57H,7,14,19-26H2,1-6H3,(H2,47,58)(H,48,56)(H,49,60)(H,50,61)(H,51,59)(H,52,63)(H,53,62)/t28-,32+,33+,34+,35+,36+,37?,38-,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368423 (CHEMBL1790881 | CHEMBL3349492) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C45H56N8O7/c1-4-28(2)40(45(60)51-35(41(56)47-3)25-30-16-9-6-10-17-30)52-44(59)37-20-13-23-53(37)27-38(54)34(24-29-14-7-5-8-15-29)49-43(58)36(26-39(46)55)50-42(57)33-22-21-31-18-11-12-19-32(31)48-33/h5-12,14-19,21-22,28,34-38,40,54H,4,13,20,23-27H2,1-3H3,(H2,46,55)(H,47,56)(H,49,58)(H,50,57)(H,51,60)(H,52,59)/t28-,34+,35+,36+,37?,38-,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Aminopeptidase B (Rattus norvegicus)	BDBM50017480 (5-Amino-8-guanidino-2-(4-hydroxy-benzyl)-4-oxo-oct...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)C[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C16H24N4O4/c17-13(2-1-7-20-16(18)19)14(22)9-11(15(23)24)8-10-3-5-12(21)6-4-10/h3-6,11,13,21H,1-2,7-9,17H2,(H,23,24)(H4,18,19,20)/t11-,13+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver				J Med Chem 32: 1378-92 (1989) BindingDB Entry DOI: 10.7270/Q20G3KQ1
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50028314 (CHEMBL325506 | N-(3-{1-Hydroxy-2-[1-(3-methyl-buty...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C28H46N4O5/c1-17(2)13-14-29-28(37)20(7)30-23(34)16-24(35)32-26(21-11-9-8-10-12-21)27(36)25(19(5)6)31-22(33)15-18(3)4/h8-12,17-20,24-26,32,35H,13-16H2,1-7H3,(H,29,37)(H,30,34)(H,31,33)/t20-,24-,25+,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025899 (3-Hydroxy-4-[3-methyl-2-(3-methyl-butyrylamino)-bu...) Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C30H48N4O6/c1-18(2)13-14-25(36)34-29(39)21(7)31-27(38)17-24(35)23(16-22-11-9-8-10-12-22)32-30(40)28(20(5)6)33-26(37)15-19(3)4/h8-12,18-21,23-24,28,35H,13-17H2,1-7H3,(H,31,38)(H,32,40)(H,33,37)(H,34,36,39)/t21-,23+,24?,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair
Aminopeptidase B (Rattus norvegicus)	BDBM50022743 (2,6-Diamino-hexane-1-thiol | CHEMBL68509) Show SMILES NCCCC[C@@H](N)CS Show InChI InChI=1S/C6H16N2S/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase B				J Med Chem 31: 2193-9 (1988) BindingDB Entry DOI: 10.7270/Q2Z038RM
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50227343 (CHEMBL3349391) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(C)C Show InChI InChI=1S/C37H54N6O8/c1-22(2)17-28(30(44)20-31(45)40-24(5)34(47)42-29(37(50)51-6)19-26-15-11-8-12-16-26)41-36(49)33(23(3)4)43-32(46)21-39-35(48)27(38)18-25-13-9-7-10-14-25/h7-16,22-24,27-30,33,44H,17-21,38H2,1-6H3,(H,39,48)(H,40,45)(H,41,49)(H,42,47)(H,43,46)/t24-,27-,28-,29-,30-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0 (time-dependent inhibition, T1/2>30 s)				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022520 (CHEMBL3349395 | H2N-Abu-Pro-Phe-Abu-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCN Show InChI InChI=1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 6.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50230041 (CHEMBL3349496) Show SMILES [H][C@@](O)(CN1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C43H56N6O9/c1-4-28(2)38(41(54)46-34(42(55)57-3)24-30-17-10-6-11-18-30)48-40(53)35-21-14-22-49(35)26-36(50)32(23-29-15-8-5-9-16-29)45-39(52)33(25-37(44)51)47-43(56)58-27-31-19-12-7-13-20-31/h5-13,15-20,28,32-36,38,50H,4,14,21-27H2,1-3H3,(H2,44,51)(H,45,52)(H,46,54)(H,47,56)(H,48,53)/t28-,32-,33-,34-,35-,36+,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50025542 (3-Hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-buty...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C34H57N5O6/c1-20(2)15-16-35-32(43)24(9)36-29(42)19-27(40)26(18-25-13-11-10-12-14-25)37-33(44)31(23(7)8)39-34(45)30(22(5)6)38-28(41)17-21(3)4/h10-14,20-24,26-27,30-31,40H,15-19H2,1-9H3,(H,35,43)(H,36,42)(H,37,44)(H,38,41)(H,39,45)/t24?,26?,27-,30-,31?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50027905 (3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...) Show SMILES COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C28H52N4O7/c1-15(2)11-20(30-27(37)25(18(7)8)32-23(34)13-17(5)6)22(33)14-24(35)29-19(9)26(36)31-21(12-16(3)4)28(38)39-10/h15-22,25,33H,11-14H2,1-10H3,(H,29,35)(H,30,37)(H,31,36)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for time dependent inhibition constant against porcine pepsin				J Med Chem 26: 904-10 (1983) BindingDB Entry DOI: 10.7270/Q2057DX2
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50025511 (CHEMBL164716 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C31H59N5O7/c1-17(2)13-14-32-27(39)21(9)33-24(38)16-23(37)22(15-18(3)4)34-28(40)25(19(5)6)35-29(41)26(20(7)8)36-30(42)43-31(10,11)12/h17-23,25-26,37H,13-16H2,1-12H3,(H,32,39)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t21?,22?,23-,25?,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50025528 (2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C43H72N6O10/c1-24(2)19-30(34(50)23-35(51)49-36(27(7)8)40(55)47-33(21-26(5)6)41(56)58-13)45-39(54)31(20-25(3)4)46-37(52)28(9)44-38(53)32(22-29-17-15-14-16-18-29)48-42(57)59-43(10,11)12/h14-18,24-28,30-34,36,50H,19-23H2,1-13H3,(H,44,53)(H,45,54)(H,46,52)(H,47,55)(H,48,57)(H,49,51)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50028312 (3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19-,20?,21-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair
Rhizopuspepsin (Rhizopus microsporus var. chinensis)	BDBM50070005 (((3R,6R,15R)-15-Hydroxymethyl-3-isopropyl-2,5-diox...) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](CCCCCCCC[C@H](CO)NC1=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C22H41N3O5/c1-15(2)18-20(28)23-16(14-26)12-10-8-6-7-9-11-13-17(19(27)25-18)24-21(29)30-22(3,4)5/h15-18,26H,6-14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/t16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Compound was evaluated for potency towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligand				Bioorg Med Chem Lett 8: 357-60 (1999) BindingDB Entry DOI: 10.7270/Q2N58KH1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368425 (CHEMBL1790885 | CHEMBL3349495) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCc1ccccc1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O Show InChI InChI=1S/C47H70N8O11/c1-7-29(4)41(46(64)50-33(47(65)66-6)21-20-31-15-10-8-11-16-31)54-45(63)38-19-14-22-55(38)26-39(58)34(24-32-17-12-9-13-18-32)51-43(61)36(25-40(48)59)53-42(60)35(23-28(2)3)52-44(62)37(27-56)49-30(5)57/h8-13,15-18,28-29,33-39,41,56,58H,7,14,19-27H2,1-6H3,(H2,48,59)(H,49,57)(H,50,64)(H,51,61)(H,52,62)(H,53,60)(H,54,63)/t29-,33+,34+,35+,36+,37+,38?,39-,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368416 (CHEMBL1790876 | CHEMBL3349487) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C43H57N7O8/c1-4-28(2)38(42(56)47-33(39(53)45-3)24-30-17-10-6-11-18-30)49-41(55)35-21-14-22-50(35)26-36(51)32(23-29-15-8-5-9-16-29)46-40(54)34(25-37(44)52)48-43(57)58-27-31-19-12-7-13-20-31/h5-13,15-20,28,32-36,38,51H,4,14,21-27H2,1-3H3,(H2,44,52)(H,45,53)(H,46,54)(H,47,56)(H,48,57)(H,49,55)/t28-,32+,33+,34+,35?,36-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Pepsin A-5 (Homo sapiens (Human))	BDBM50108798 (CHEMBL3143437 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@@](C)(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C32H61N5O7/c1-18(2)12-14-33-29(40)23(11)34-26(39)17-25(38)24(16-20(5)6)35-30(41)27(21(7)8)36-31(42)28(22(9)10)37-32(43)44-15-13-19(3)4/h18-25,27-28,38H,12-17H2,1-11H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)(H,37,43)/t23-,24-,25-,27?,28?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of pepsin				J Med Chem 45: 541-58 (2002) BindingDB Entry DOI: 10.7270/Q2M9080M
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025889 (3-Hydroxy-6-methyl-4-(methyl-{3-methyl-2-[3-methyl...) Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C33H61N5O7/c1-18(2)13-14-26(40)36-31(43)23(11)34-28(42)17-25(39)24(15-19(3)4)38(12)33(45)30(22(9)10)37-32(44)29(21(7)8)35-27(41)16-20(5)6/h18-25,29-30,39H,13-17H2,1-12H3,(H,34,42)(H,35,41)(H,37,44)(H,36,40,43)/t23-,24+,25?,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50027909 (2-(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-b...) Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C31H50N4O7/c1-18(2)14-23(33-30(40)28(20(5)6)35-26(37)15-19(3)4)25(36)17-27(38)32-21(7)29(39)34-24(31(41)42-8)16-22-12-10-9-11-13-22/h9-13,18-21,23-25,28,36H,14-17H2,1-8H3,(H,32,38)(H,33,40)(H,34,39)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for time dependent inhibition constant against porcine pepsin				J Med Chem 26: 904-10 (1983) BindingDB Entry DOI: 10.7270/Q2057DX2
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025889 (3-Hydroxy-6-methyl-4-(methyl-{3-methyl-2-[3-methyl...) Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C33H61N5O7/c1-18(2)13-14-26(40)36-31(43)23(11)34-28(42)17-25(39)24(15-19(3)4)38(12)33(45)30(22(9)10)37-32(44)29(21(7)8)35-27(41)16-20(5)6/h18-25,29-30,39H,13-17H2,1-12H3,(H,34,42)(H,35,41)(H,37,44)(H,36,40,43)/t23-,24+,25?,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025519 (4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyry...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(C)C)C(C)C Show InChI InChI=1S/C26H50N4O5/c1-15(2)11-12-27-23(33)18(7)28-21(32)14-20(31)19(13-16(3)4)29-24(34)22(17(5)6)30-25(35)26(8,9)10/h15-20,22,31H,11-14H2,1-10H3,(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t18?,19?,20-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for inhibition of carboxyl protease (pepsin) inhibition				J Med Chem 25: 791-5 (1982) BindingDB Entry DOI: 10.7270/Q2C828BB
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025510 (2-{2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phe...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C49H75N7O11/c1-28(2)23-35(53-43(60)32(8)50-42(59)31(7)51-44(61)37(26-34-21-17-14-18-22-34)55-48(65)67-49(9,10)11)39(57)27-40(58)52-36(25-33-19-15-13-16-20-33)45(62)56-41(30(5)6)46(63)54-38(24-29(3)4)47(64)66-12/h13-22,28-32,35-39,41,57H,23-27H2,1-12H3,(H,50,59)(H,51,61)(H,52,58)(H,53,60)(H,54,63)(H,55,65)(H,56,62)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of pepsin.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50230040 (CHEMBL3349494) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C43H56N6O9/c1-4-28(2)38(41(54)46-34(42(55)57-3)24-30-17-10-6-11-18-30)48-40(53)35-21-14-22-49(35)26-36(50)32(23-29-15-8-5-9-16-29)45-39(52)33(25-37(44)51)47-43(56)58-27-31-19-12-7-13-20-31/h5-13,15-20,28,32-36,38,50H,4,14,21-27H2,1-3H3,(H2,44,51)(H,45,52)(H,46,54)(H,47,56)(H,48,53)/t28-,32-,33-,34-,35?,36+,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368424 (CHEMBL1790889 | CHEMBL3349499) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C47H58N6O9/c1-4-30(2)42(45(58)50-38(46(59)61-3)26-33-21-22-34-18-11-12-19-35(34)24-33)52-44(57)39-20-13-23-53(39)28-40(54)36(25-31-14-7-5-8-15-31)49-43(56)37(27-41(48)55)51-47(60)62-29-32-16-9-6-10-17-32/h5-12,14-19,21-22,24,30,36-40,42,54H,4,13,20,23,25-29H2,1-3H3,(H2,48,55)(H,49,56)(H,50,58)(H,51,60)(H,52,57)/t30-,36+,37+,38+,39?,40-,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50025531 (CHEMBL3392096 | [1-(1-{1-Benzyl-2-hydroxy-3-[1-(3-...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C34H57N5O7/c1-20(2)16-17-35-30(42)23(7)36-27(41)19-26(40)25(18-24-14-12-11-13-15-24)37-31(43)28(21(3)4)38-32(44)29(22(5)6)39-33(45)46-34(8,9)10/h11-15,20-23,25-26,28-29,40H,16-19H2,1-10H3,(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,39,45)/t23?,25?,26-,28?,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368431 (CHEMBL1790869 | CHEMBL3349480) Show SMILES [H][C@@](O)(CN1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C42H54N6O9/c1-3-27(2)37(40(53)45-33(41(54)55)23-29-16-9-5-10-17-29)47-39(52)34-20-13-21-48(34)25-35(49)31(22-28-14-7-4-8-15-28)44-38(51)32(24-36(43)50)46-42(56)57-26-30-18-11-6-12-19-30/h4-12,14-19,27,31-35,37,49H,3,13,20-26H2,1-2H3,(H2,43,50)(H,44,51)(H,45,53)(H,46,56)(H,47,52)(H,54,55)/t27-,31+,32+,33+,34+,35-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368426 (CHEMBL1790892 | CHEMBL3349502) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C41H55N7O8/c1-6-25(4)36(40(54)46-35(24(2)3)41(55)56-5)47-39(53)32-17-12-20-48(32)23-33(49)30(21-26-13-8-7-9-14-26)44-38(52)31(22-34(42)50)45-37(51)29-19-18-27-15-10-11-16-28(27)43-29/h7-11,13-16,18-19,24-25,30-33,35-36,49H,6,12,17,20-23H2,1-5H3,(H2,42,50)(H,44,52)(H,45,51)(H,46,54)(H,47,53)/t25-,30+,31+,32?,33-,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair
Aminopeptidase B (Rattus norvegicus)	BDBM50017482 (5-Amino-2-benzyl-8-guanidino-4-oxo-octanoic acid |...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)C[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N4O3/c17-13(7-4-8-20-16(18)19)14(21)10-12(15(22)23)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,17H2,(H,22,23)(H4,18,19,20)/t12-,13+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver				J Med Chem 32: 1378-92 (1989) BindingDB Entry DOI: 10.7270/Q20G3KQ1
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022293 (CHEMBL124266 | N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-...) Show SMILES CC(C)CCNC(=O)C(C)NC(=O)C(C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C)Cc1ccccc1 Show InChI InChI=1S/C34H58N4O5/c1-21(2)15-16-35-32(41)25(9)36-33(42)27(19-26-13-11-10-12-14-26)20-29(39)28(17-22(3)4)37-34(43)31(24(7)8)38-30(40)18-23(5)6/h10-14,21-25,27-29,31,39H,15-20H2,1-9H3,(H,35,41)(H,36,42)(H,37,43)(H,38,40)/t25?,27?,28-,29-,31?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 30: 374-83 (1987) BindingDB Entry DOI: 10.7270/Q2KP815G
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025901 (4-Hydroxy-7-methyl-5-[3-methyl-2-(3-methyl-butyryl...) Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C34H56N4O6/c1-20(2)15-16-29(40)38-32(42)24(9)35-33(43)26(25-13-11-10-12-14-25)19-28(39)27(17-21(3)4)36-34(44)31(23(7)8)37-30(41)18-22(5)6/h10-14,20-24,26-28,31,39H,15-19H2,1-9H3,(H,35,43)(H,36,44)(H,37,41)(H,38,40,42)/t24-,26-,27+,28?,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025513 (2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C40H66N6O10/c1-22(2)18-28(31(47)21-32(48)46-33(24(5)6)37(52)44-30(19-23(3)4)38(53)55-12)43-35(50)26(8)41-34(49)25(7)42-36(51)29(20-27-16-14-13-15-17-27)45-39(54)56-40(9,10)11/h13-17,22-26,28-31,33,47H,18-21H2,1-12H3,(H,41,49)(H,42,51)(H,43,50)(H,44,52)(H,45,54)(H,46,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of pepsin.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50017485 (1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19-,20-,21-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for inhibition of carboxyl protease (pepsin) inhibition				J Med Chem 25: 791-5 (1982) BindingDB Entry DOI: 10.7270/Q2C828BB
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50025890 (4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-methyl-but...) Show SMILES CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H](C)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H52N4O5/c1-15(2)11-21(30-27(36)24(18(7)8)31-23(33)12-16(3)4)22(32)13-19(9)25(34)29-20(10)26(35)28-14-17(5)6/h15-22,24,32H,11-14H2,1-10H3,(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+,22?,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair

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